Information card for entry 2011994

Structure parameters

• Chemical name: dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate
• Formula: C26 H34 O4
• Calculated formula: C26 H34 O4
• SMILES: O(C)C(=O)/C(=C1\C2CC3CC(CC1C3)C2)/C(=C\1C2CC3CC(CC1C3)C2)C(=O)OC
• Title of publication: Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate
• Authors of publication: Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 653 - 656
• a: 13.5304 ± 0.0015 Å
• b: 16.005 ± 0.002 Å
• c: 39.089 ± 0.007 Å
• α: 90°
• β: 91.147 ± 0.012°
• γ: 90°
• Cell volume: 8463 ± 2 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.176
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes